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. 2023 Nov 10;8(46):44312–44327. doi: 10.1021/acsomega.3c07125

Table 2. Binding Energy Values for Compounds 8a, 8b, 12a, and 12b and Standard Ligands with Bacterial Dihydrofolate Reductase and Tyrosyl-tRNA Synthetase Proteins.

  Gibbs free energy (S) (kcal/mol)
sample bacterial dihydrofolate reductase bacterial tyrosyl-tRNA synthetase
8a –40.8 –36
8b –37.14 –36.6
12a –39.7 –37.1
12b –37.9 –40
cocrystallized ligand (standard) –16.2 –18.6